{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=46","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=44","results":[{"id":"mp-1216943","created_at":"2022-09-04T14:45:31.477171Z","structure_string":"Ti2 Nb2 P6 O24\n1.0\n7.811550 -4.366772 0.000000\n7.811550 4.366772 0.000000\n5.370460 0.000000 7.158712\nTi Nb P O\n2 2 6 24\ndirect\n0.358637 0.358637 0.358637 Ti\n0.858637 0.858637 0.858637 Ti\n0.639975 0.639975 0.639975 Nb\n0.139975 0.139975 0.139975 Nb\n0.971945 0.536347 0.243928 P\n0.243928 0.971945 0.536347 P\n0.536347 0.243928 0.971945 P\n0.743928 0.036347 0.471945 P\n0.471945 0.743928 0.036347 P\n0.036347 0.471945 0.743928 P\n0.139060 0.503413 0.277190 O\n0.277190 0.139060 0.503413 O\n0.503413 0.277190 0.139060 O\n0.777190 0.003413 0.639060 O\n0.639060 0.777190 0.003413 O\n0.003413 0.639060 0.777190 O\n0.863631 0.497198 0.720721 O\n0.720721 0.863631 0.497198 O\n0.497198 0.720721 0.863631 O\n0.220721 0.997198 0.363631 O\n0.363631 0.220721 0.997198 O\n0.997198 0.363631 0.220721 O\n0.211194 0.437958 0.574379 O\n0.574379 0.211194 0.437958 O\n0.437958 0.574379 0.211194 O\n0.074379 0.937958 0.711194 O\n0.711194 0.074379 0.937958 O\n0.937958 0.711194 0.074379 O\n0.792464 0.563002 0.418960 O\n0.418960 0.792464 0.563002 O\n0.563002 0.418960 0.792464 O\n0.918960 0.063002 0.292464 O\n0.292464 0.918960 0.063002 O\n0.063002 0.292464 0.918960 O\n","nsites":34,"nelements":4,"elements":["Ti","Nb","P","O"],"chemical_system":"Nb-O-P-Ti","density":2.894725159132706,"density_atomic":0.06961715908008254,"volume":488.3853413335765,"volume_molar":8.650368443033658,"formula_full":"Ti2 Nb2 P6 O24","formula_reduced":"TiNb(PO4)3","formula_anonymous":"ABC3D12","energy":-288.02938573,"energy_per_atom":-8.471452521470589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-271.54138573,"band_gap":2.7411000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.865000Z","spacegroup":161},{"id":"mp-867858","created_at":"2022-09-04T14:45:31.509257Z","structure_string":"Sc1 U1 Tc2\n1.0\n0.000000 3.301016 3.301016\n3.301016 0.000000 3.301016\n3.301016 3.301016 0.000000\nSc U Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Sc","U","Tc"],"chemical_system":"Sc-Tc-U","density":11.055998357274968,"density_atomic":0.05560157676382281,"volume":71.94040588076635,"volume_molar":10.830881263637668,"formula_full":"Sc1 U1 Tc2","formula_reduced":"ScUTc2","formula_anonymous":"ABC2","energy":-39.00320557,"energy_per_atom":-9.7508013925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.00320557,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9958456,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.571000Z","spacegroup":225},{"id":"mp-19946","created_at":"2022-09-04T14:45:31.514313Z","structure_string":"Y1 In1 Cu2\n1.0\n0.000000 3.321918 3.321918\n3.321918 0.000000 3.321918\n3.321918 3.321918 0.000000\nY In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n","nsites":4,"nelements":3,"elements":["Y","In","Cu"],"chemical_system":"Cu-In-Y","density":7.492705919695037,"density_atomic":0.05455860683492888,"volume":73.31565507349367,"volume_molar":11.037929869104676,"formula_full":"Y1 In1 Cu2","formula_reduced":"YInCu2","formula_anonymous":"ABC2","energy":-18.7111535,"energy_per_atom":-4.677788375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.7111535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001307,"is_theoretical":false,"updated_at":"2021-11-28T01:36:59.811000Z","spacegroup":225},{"id":"mp-771244","created_at":"2022-09-04T14:45:31.564495Z","structure_string":"Li4 Co13 O28\n1.0\n7.477813 0.000000 0.000000\n-2.094608 7.845211 0.000000\n-2.126450 -2.147875 8.060355\nLi Co O\n4 13 28\ndirect\n0.917006 0.269149 0.208775 Li\n0.779036 0.865227 0.649828 Li\n0.288477 0.343180 0.139903 Li\n0.077523 0.715952 0.803565 Li\n0.932004 0.790794 0.208298 Co\n0.855263 0.570532 0.424540 Co\n0.641975 0.917529 0.057080 Co\n0.780560 0.348567 0.635307 Co\n0.570373 0.713539 0.281925 Co\n0.720453 0.145200 0.860461 Co\n0.499656 0.499606 0.499487 Co\n0.285911 0.866487 0.144853 Co\n0.430649 0.289554 0.719150 Co\n0.219999 0.656766 0.366624 Co\n0.353170 0.070785 0.930560 Co\n0.143174 0.428196 0.571058 Co\n0.071711 0.212002 0.790934 Co\n0.892702 0.998218 0.194709 O\n0.951477 0.563437 0.245505 O\n0.874007 0.348510 0.446417 O\n0.631718 0.145822 0.049803 O\n0.836411 0.788209 0.402477 O\n0.659827 0.704261 0.090874 O\n0.980515 0.239880 0.972306 O\n0.800926 0.128735 0.667398 O\n0.776536 0.582418 0.616012 O\n0.583836 0.492462 0.305748 O\n0.556136 0.931880 0.250017 O\n0.702856 0.365388 0.826871 O\n0.515701 0.276961 0.529681 O\n0.296638 0.085835 0.124254 O\n0.701304 0.916158 0.868807 O\n0.492524 0.728175 0.475127 O\n0.300179 0.636483 0.175445 O\n0.450593 0.072072 0.747518 O\n0.409249 0.507574 0.688111 O\n0.227103 0.423748 0.377410 O\n0.199476 0.871293 0.335057 O\n0.025581 0.766711 0.035579 O\n0.340947 0.297726 0.910640 O\n0.162601 0.210828 0.602868 O\n0.363045 0.844212 0.949995 O\n0.123497 0.651371 0.550740 O\n0.050115 0.435299 0.755743 O\n0.098984 0.997555 0.798253 O\n","nsites":45,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.361088393362815,"density_atomic":0.09516540824993745,"volume":472.8608937589418,"volume_molar":6.328077471368339,"formula_full":"Li4 Co13 O28","formula_reduced":"Li4Co13O28","formula_anonymous":"A4B13C28","energy":-294.78224176000003,"energy_per_atom":-6.550716483555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-254.25224176,"band_gap":0.2336,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9980118,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.587000Z","spacegroup":1},{"id":"mp-807588","created_at":"2022-09-04T14:45:31.386300Z","structure_string":"Li3 Mn2 P4 H1 O14\n1.0\n5.139085 0.000000 0.000000\n-2.459704 4.657837 0.000000\n-0.313526 -2.798889 12.284083\nLi Mn P H O\n3 2 4 1 14\ndirect\n0.758913 0.180949 0.008993 Li\n0.000000 0.500000 0.500000 Li\n0.241087 0.819051 0.991007 Li\n0.416038 0.836284 0.237955 Mn\n0.583962 0.163716 0.762045 Mn\n0.945305 0.031053 0.376688 P\n0.187761 0.294573 0.142528 P\n0.812239 0.705427 0.857472 P\n0.054695 0.968947 0.623312 P\n0.500000 0.000000 0.500000 H\n0.106808 0.851659 0.374044 O\n0.451999 0.224359 0.126256 O\n0.968950 0.158384 0.093479 O\n0.885905 0.069802 0.272186 O\n0.577603 0.833907 0.473822 O\n0.669353 0.348752 0.885112 O\n0.179329 0.375962 0.358708 O\n0.820671 0.624038 0.641292 O\n0.330647 0.651248 0.114888 O\n0.422397 0.166093 0.526178 O\n0.114095 0.930198 0.727814 O\n0.031050 0.841616 0.906521 O\n0.548001 0.775641 0.873744 O\n0.893192 0.148341 0.625956 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","P","H","O"],"chemical_system":"H-Li-Mn-O-P","density":2.7083807447735877,"density_atomic":0.08162034237158557,"volume":294.04434363601865,"volume_molar":7.37823511274131,"formula_full":"Li3 Mn2 P4 H1 O14","formula_reduced":"Li3Mn2P4HO14","formula_anonymous":"AB2C3D4E14","energy":-129.50495495,"energy_per_atom":-5.396039789583334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-116.55095495,"band_gap":0.2070999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9968717,"is_theoretical":true,"updated_at":"2021-11-28T01:37:02.998000Z","spacegroup":2},{"id":"mp-570796","created_at":"2022-09-04T14:45:31.408256Z","structure_string":"Sb8 Cl40\n1.0\n12.934872 0.000000 0.000000\n0.000000 10.138381 0.000000\n0.000000 4.414962 12.698695\nSb Cl\n8 40\ndirect\n0.872812 0.806064 0.704544 Sb\n0.130816 0.616086 0.189028 Sb\n0.372812 0.193936 0.795456 Sb\n0.630816 0.383914 0.310972 Sb\n0.869184 0.383914 0.810972 Sb\n0.627188 0.806064 0.204544 Sb\n0.369184 0.616086 0.689028 Sb\n0.127188 0.193936 0.295456 Sb\n0.009076 0.042960 0.256241 Cl\n0.526054 0.401472 0.163634 Cl\n0.473946 0.598528 0.836366 Cl\n0.475193 0.219196 0.932712 Cl\n0.517353 0.227096 0.427575 Cl\n0.247069 0.769061 0.228157 Cl\n0.734418 0.406163 0.448815 Cl\n0.239803 0.036049 0.411702 Cl\n0.522751 0.592576 0.329869 Cl\n0.022751 0.407424 0.170131 Cl\n0.026054 0.598528 0.336366 Cl\n0.524807 0.780804 0.067288 Cl\n0.752931 0.230939 0.771843 Cl\n0.252931 0.769061 0.728157 Cl\n0.975193 0.780804 0.567288 Cl\n0.260197 0.036049 0.911702 Cl\n0.747069 0.230939 0.271843 Cl\n0.768746 0.788456 0.852144 Cl\n0.236105 0.404399 0.313232 Cl\n0.990924 0.957040 0.743759 Cl\n0.024807 0.219196 0.432712 Cl\n0.268746 0.211544 0.647856 Cl\n0.739803 0.963951 0.088298 Cl\n0.509076 0.957040 0.243759 Cl\n0.736105 0.595601 0.186768 Cl\n0.982647 0.227096 0.927575 Cl\n0.973946 0.401472 0.663634 Cl\n0.234418 0.593837 0.051185 Cl\n0.760197 0.963951 0.588298 Cl\n0.263895 0.404399 0.813232 Cl\n0.477249 0.407424 0.670131 Cl\n0.482647 0.772904 0.572425 Cl\n0.763895 0.595601 0.686768 Cl\n0.977249 0.592576 0.829869 Cl\n0.765582 0.406163 0.948815 Cl\n0.490924 0.042960 0.756241 Cl\n0.231254 0.211544 0.147856 Cl\n0.731254 0.788456 0.352144 Cl\n0.017353 0.772904 0.072425 Cl\n0.265582 0.593837 0.551185 Cl\n","nsites":48,"nelements":2,"elements":["Sb","Cl"],"chemical_system":"Cl-Sb","density":2.3853754640532054,"density_atomic":0.028823811015686946,"volume":1665.2898526803651,"volume_molar":20.89293728966838,"formula_full":"Sb8 Cl40","formula_reduced":"SbCl5","formula_anonymous":"AB5","energy":-162.4775576,"energy_per_atom":-3.3849491166666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.9175576,"band_gap":1.6912,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.402000Z","spacegroup":14},{"id":"mp-1204515","created_at":"2022-09-04T14:45:31.415641Z","structure_string":"Er6 Ge26 Rh8\n1.0\n9.026283 0.000000 0.000000\n0.000000 9.026283 0.000000\n0.000000 0.000000 9.026283\nEr Ge Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Er\n0.500000 0.250000 0.000000 Er\n0.750000 0.000000 0.500000 Er\n0.000000 0.500000 0.250000 Er\n0.500000 0.750000 0.000000 Er\n0.250000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.810252 0.353137 0.500000 Ge\n0.646863 0.500000 0.810252 Ge\n0.500000 0.189748 0.646863 Ge\n0.189748 0.646863 0.500000 Ge\n0.353137 0.500000 0.189748 Ge\n0.500000 0.810252 0.353137 Ge\n0.810252 0.646863 0.500000 Ge\n0.646863 0.500000 0.189748 Ge\n0.189748 0.353137 0.500000 Ge\n0.353137 0.500000 0.810252 Ge\n0.500000 0.810252 0.646863 Ge\n0.500000 0.189748 0.353137 Ge\n0.310252 0.000000 0.853137 Ge\n0.146863 0.310252 0.000000 Ge\n0.000000 0.146863 0.689748 Ge\n0.689748 0.000000 0.146863 Ge\n0.853137 0.689748 0.000000 Ge\n0.000000 0.853137 0.310252 Ge\n0.310252 0.000000 0.146863 Ge\n0.146863 0.689748 0.000000 Ge\n0.689748 0.000000 0.853137 Ge\n0.853137 0.310252 0.000000 Ge\n0.000000 0.146863 0.310252 Ge\n0.000000 0.853137 0.689748 Ge\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":40,"nelements":3,"elements":["Er","Ge","Rh"],"chemical_system":"Er-Ge-Rh","density":8.389426599633111,"density_atomic":0.05439176527358356,"volume":735.4054386505965,"volume_molar":11.07178766805859,"formula_full":"Er6 Ge26 Rh8","formula_reduced":"Er3Ge13Rh4","formula_anonymous":"A3B4C13","energy":-227.71480167,"energy_per_atom":-5.69287004175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-227.71480167,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036213,"is_theoretical":false,"updated_at":"2021-11-28T01:36:59.659000Z","spacegroup":223},{"id":"mp-1175853","created_at":"2022-09-04T14:45:31.428584Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.001624 0.000000 0.000000\n-1.625898 5.657089 0.000000\n-1.493218 -0.451023 10.166496\nLi Mn Co O\n9 2 5 16\ndirect\n0.002242 0.252549 0.261295 Li\n0.508729 0.876306 0.624506 Li\n0.002323 0.004610 0.503865 Li\n0.490101 0.619547 0.866600 Li\n0.008885 0.749982 0.741853 Li\n0.492892 0.377454 0.126607 Li\n0.998630 0.498676 0.990466 Li\n0.508114 0.127639 0.383637 Li\n0.000535 0.249419 0.748282 Li\n0.994092 0.998652 0.995258 Mn\n0.493823 0.125096 0.869793 Mn\n0.506180 0.624425 0.379860 Co\n0.499091 0.877052 0.123997 Co\n0.998667 0.490524 0.507362 Co\n0.997022 0.751825 0.252343 Co\n0.497786 0.376036 0.630802 Co\n0.735952 0.161673 0.052039 O\n0.251279 0.792653 0.430163 O\n0.759905 0.928661 0.307410 O\n0.261497 0.554208 0.679872 O\n0.751190 0.681481 0.559316 O\n0.242993 0.279950 0.939722 O\n0.722887 0.411332 0.819600 O\n0.240713 0.043914 0.169497 O\n0.261268 0.323147 0.442006 O\n0.747225 0.947327 0.830558 O\n0.280235 0.068595 0.700986 O\n0.750452 0.715865 0.065350 O\n0.237734 0.833800 0.933998 O\n0.748005 0.453288 0.314063 O\n0.253714 0.591969 0.185119 O\n0.755837 0.212342 0.563781 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.173620232422325,"density_atomic":0.11124349697794085,"volume":287.6572641935688,"volume_molar":5.41347667378181,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.83867933,"energy_per_atom":-6.5262087290625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.32067933,"band_gap":0.5600999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000009,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.405000Z","spacegroup":1},{"id":"mp-1173807","created_at":"2022-09-04T14:45:31.509394Z","structure_string":"Na2 Ca2 Ti2 Fe6 O16\n1.0\n0.000000 -3.011666 0.000000\n-9.299977 0.000000 0.000000\n0.000000 0.000000 -10.908310\nNa Ca Ti Fe O\n2 2 2 6 16\ndirect\n0.750000 0.257595 0.845761 Na\n0.250000 0.242405 0.345761 Na\n0.750000 0.758196 0.657613 Ca\n0.250000 0.741804 0.157613 Ca\n0.750000 0.411474 0.102852 Ti\n0.250000 0.088526 0.602852 Ti\n0.750000 0.433678 0.611690 Fe\n0.750000 0.940144 0.891525 Fe\n0.250000 0.559856 0.391525 Fe\n0.250000 0.066322 0.111690 Fe\n0.750000 0.917980 0.393585 Fe\n0.250000 0.582020 0.893585 Fe\n0.750000 0.116290 0.487044 O\n0.750000 0.614103 0.025216 O\n0.250000 0.885897 0.525216 O\n0.250000 0.383710 0.987044 O\n0.750000 0.025920 0.710432 O\n0.750000 0.523599 0.785273 O\n0.250000 0.976401 0.285273 O\n0.250000 0.474080 0.210432 O\n0.750000 0.422892 0.427862 O\n0.750000 0.914989 0.076289 O\n0.250000 0.585011 0.576289 O\n0.250000 0.077108 0.927862 O\n0.750000 0.211431 0.149762 O\n0.750000 0.704589 0.335096 O\n0.250000 0.795411 0.835096 O\n0.250000 0.288569 0.649762 O\n","nsites":28,"nelements":5,"elements":["Na","Ca","Ti","Fe","O"],"chemical_system":"Ca-Fe-Na-O-Ti","density":4.418308775225603,"density_atomic":0.09164565495184106,"volume":305.5245774031921,"volume_molar":6.5711143241483505,"formula_full":"Na2 Ca2 Ti2 Fe6 O16","formula_reduced":"NaCaTiFe3O8","formula_anonymous":"ABCD3E8","energy":-218.40521463,"energy_per_atom":-7.800186236785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.87721463,"band_gap":1.9018,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":29.9962104,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.263000Z","spacegroup":31},{"id":"mp-10853","created_at":"2022-09-04T14:45:31.683315Z","structure_string":"Pr2 B4 C4\n1.0\n5.403749 0.000000 0.000000\n0.000000 5.403749 0.000000\n0.000000 0.000000 3.883487\nPr B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pr\n0.138199 0.638199 0.500000 B\n0.638199 0.861801 0.500000 B\n0.861801 0.361801 0.500000 B\n0.361801 0.138199 0.500000 B\n0.839535 0.660465 0.500000 C\n0.339535 0.839535 0.500000 C\n0.660465 0.160465 0.500000 C\n0.160465 0.339535 0.500000 C\n","nsites":10,"nelements":3,"elements":["Pr","B","C"],"chemical_system":"B-C-Pr","density":5.463420135174081,"density_atomic":0.0881835966519797,"volume":113.39977478425408,"volume_molar":6.8290940590307665,"formula_full":"Pr2 B4 C4","formula_reduced":"Pr(BC)2","formula_anonymous":"AB2C2","energy":-77.13489366,"energy_per_atom":-7.713489366,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.13489366,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.33e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.450000Z","spacegroup":127},{"id":"mp-770861","created_at":"2022-09-04T14:45:31.871930Z","structure_string":"Li32 Cr8 O36\n1.0\n13.623510 -1.666233 5.380452\n-0.565470 6.775643 5.385930\n-1.121958 -1.857093 5.310501\nLi Cr O\n32 8 36\ndirect\n0.033230 0.118185 0.775468 Li\n0.053562 0.632718 0.545428 Li\n0.044884 0.630880 0.033529 Li\n0.042749 0.122743 0.316130 Li\n0.157662 0.412607 0.848670 Li\n0.153014 0.848202 0.128866 Li\n0.239794 0.629889 0.965710 Li\n0.241244 0.631085 0.424147 Li\n0.255109 0.118268 0.670100 Li\n0.255938 0.115878 0.217176 Li\n0.341663 0.339680 0.787636 Li\n0.350351 0.896367 0.507875 Li\n0.456723 0.629908 0.858532 Li\n0.458739 0.120880 0.589743 Li\n0.470141 0.623994 0.308243 Li\n0.547494 0.882100 0.911990 Li\n0.452506 0.117900 0.088010 Li\n0.529859 0.376006 0.691757 Li\n0.541261 0.879120 0.410257 Li\n0.543277 0.370092 0.141468 Li\n0.649649 0.103633 0.492125 Li\n0.658337 0.660320 0.212364 Li\n0.744062 0.884122 0.782824 Li\n0.744891 0.881732 0.329900 Li\n0.758756 0.368915 0.575853 Li\n0.760206 0.370111 0.034290 Li\n0.846986 0.151798 0.871134 Li\n0.842338 0.587393 0.151330 Li\n0.957251 0.877257 0.683870 Li\n0.955116 0.369120 0.966471 Li\n0.946438 0.367282 0.454572 Li\n0.966770 0.881815 0.224532 Li\n0.149245 0.874811 0.622835 Cr\n0.139660 0.376590 0.371077 Cr\n0.356283 0.871100 0.021620 Cr\n0.353687 0.357710 0.277968 Cr\n0.646313 0.642290 0.722032 Cr\n0.643717 0.128900 0.978380 Cr\n0.860340 0.623410 0.628923 Cr\n0.850755 0.125189 0.377165 Cr\n0.059917 0.881530 0.889342 O\n0.066456 0.881707 0.416599 O\n0.068682 0.356792 0.660461 O\n0.062505 0.367043 0.171760 O\n0.153873 0.649080 0.728871 O\n0.139854 0.598757 0.259072 O\n0.151382 0.120715 0.490115 O\n0.245871 0.875938 0.808443 O\n0.251150 0.873757 0.325541 O\n0.253651 0.379812 0.536564 O\n0.248390 0.374081 0.101644 O\n0.341668 0.090627 0.914006 O\n0.345342 0.648966 0.130597 O\n0.358720 0.147005 0.378205 O\n0.440565 0.870510 0.740031 O\n0.429101 0.391891 0.977006 O\n0.443407 0.864990 0.210579 O\n0.436835 0.387176 0.454346 O\n0.563165 0.612824 0.545654 O\n0.556593 0.135010 0.789421 O\n0.570899 0.608109 0.022994 O\n0.559435 0.129490 0.259969 O\n0.641280 0.852995 0.621795 O\n0.654658 0.351034 0.869403 O\n0.658332 0.909373 0.085994 O\n0.751610 0.625919 0.898356 O\n0.746349 0.620188 0.463436 O\n0.748850 0.126243 0.674459 O\n0.754129 0.124062 0.191557 O\n0.848618 0.879285 0.509885 O\n0.860146 0.401243 0.740928 O\n0.846127 0.350920 0.271129 O\n0.937495 0.632957 0.828240 O\n0.931318 0.643208 0.339539 O\n0.933544 0.118293 0.583401 O\n0.940083 0.118470 0.110658 O\n","nsites":76,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":2.973072015773927,"density_atomic":0.1120804999693927,"volume":678.0840558415988,"volume_molar":5.37304951498659,"formula_full":"Li32 Cr8 O36","formula_reduced":"Li8Cr2O9","formula_anonymous":"A2B8C9","energy":-474.96411881,"energy_per_atom":-6.249527879078947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-434.24011881,"band_gap":0.4582999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.177000Z","spacegroup":2},{"id":"mp-1651273","created_at":"2022-09-04T14:45:29.628303Z","structure_string":"Na12 Co4 B4 P4 O28\n1.0\n-0.003407 6.662422 -0.013131\n0.146705 -0.021626 10.518080\n8.923041 -0.004999 0.154316\nNa Co B P O\n12 4 4 4 28\ndirect\n0.250742 0.378416 0.075668 Na\n0.253010 0.879087 0.075748 Na\n0.747799 0.121441 0.924054 Na\n0.751398 0.621204 0.923884 Na\n0.001127 0.123088 0.257327 Na\n0.003461 0.623597 0.258592 Na\n0.496873 0.123661 0.258289 Na\n0.497545 0.623496 0.257832 Na\n0.502882 0.374611 0.740527 Na\n0.503519 0.877893 0.742573 Na\n0.997149 0.377400 0.742963 Na\n0.997779 0.873997 0.740819 Na\n0.754029 0.885315 0.339047 Co\n0.244382 0.113782 0.660764 Co\n0.754561 0.386224 0.339288 Co\n0.255919 0.613739 0.660861 Co\n0.747371 0.364271 0.066401 B\n0.750079 0.864764 0.065945 B\n0.251065 0.135917 0.933627 B\n0.247913 0.636041 0.933691 B\n0.249820 0.358324 0.423506 P\n0.251888 0.858411 0.423406 P\n0.749213 0.141321 0.576572 P\n0.751203 0.641974 0.576837 P\n0.247973 0.145747 0.083459 O\n0.249702 0.646056 0.083574 O\n0.748830 0.354214 0.916571 O\n0.751892 0.852842 0.916469 O\n0.743260 0.480684 0.140098 O\n0.745298 0.981133 0.138590 O\n0.256267 0.019613 0.859801 O\n0.243232 0.519617 0.860052 O\n0.748755 0.261827 0.169412 O\n0.752016 0.762605 0.170228 O\n0.250289 0.238458 0.830754 O\n0.249712 0.738491 0.830775 O\n0.247867 0.211865 0.467197 O\n0.251849 0.711945 0.466971 O\n0.750852 0.287744 0.532443 O\n0.753369 0.788588 0.534035 O\n0.750338 0.064413 0.432676 O\n0.749604 0.565762 0.432298 O\n0.250365 0.434680 0.567790 O\n0.250305 0.934670 0.567811 O\n0.062742 0.388354 0.323593 O\n0.064865 0.888043 0.323485 O\n0.434304 0.388914 0.322688 O\n0.436428 0.890013 0.322787 O\n0.564714 0.111242 0.677520 O\n0.563318 0.612953 0.676430 O\n0.936227 0.111640 0.676624 O\n0.934897 0.609914 0.677651 O\n","nsites":52,"nelements":5,"elements":["Na","Co","B","P","O"],"chemical_system":"B-Co-Na-O-P","density":2.992919060681965,"density_atomic":0.08318183362615082,"volume":625.1364959530318,"volume_molar":7.239730717004476,"formula_full":"Na12 Co4 B4 P4 O28","formula_reduced":"Na3CoBPO7","formula_anonymous":"ABCD3E7","energy":-350.68197048,"energy_per_atom":-6.743884047692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.89397048,"band_gap":1.533,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.041000Z","spacegroup":4}]}